1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide

C16H28N4O — CID 79701973

IUPAC1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)20(10-14-6-8-17-9-7-14)16(21)15-12(3)18-19(5)13(15)4/h11,14,17H,6-10H2,1-5H3
InChIKeyFPKXWOAKXNVHDQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.89
Rot. Bonds4

About 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide

1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 79701973) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID79701973
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)20(10-14-6-8-17-9-7-14)16(21)15-12(3)18-19(5)13(15)4/h11,14,17H,6-10H2,1-5H3
InChIKeyFPKXWOAKXNVHDQ-UHFFFAOYSA-N
XLogP1.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 61021700
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
N-(2-cyanoethyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54996295
1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
CID 79719369
N-(3-amino-3-hydroxyiminopropyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 76911540
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
5-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 104786254
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide (CID 79701973) is 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(CC1CCNCC1)C(C)C.
What is the InChIKey of 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is FPKXWOAKXNVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)20(10-14-6-8-17-9-7-14)16(21)15-12(3)18-19(5)13(15)4/h11,14,17H,6-10H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide?
1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 79701973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).